5-(4-chlorophenyl)pentanoyl fluoride

C11H12ClFO — CID 142840558

IUPAC5-(4-chlorophenyl)pentanoyl fluoride
SMILESO=C(F)CCCCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClFO/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2
InChIKeyKLTRJFMPLPGHRT-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.55
Rot. Bonds5

About 5-(4-chlorophenyl)pentanoyl fluoride

5-(4-chlorophenyl)pentanoyl fluoride (PubChem CID 142840558) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)pentanoyl fluoride.

Molecular Properties

Compound Name5-(4-chlorophenyl)pentanoyl fluoride
PubChem CID142840558
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name5-(4-chlorophenyl)pentanoyl fluoride
SMILESO=C(F)CCCCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClFO/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2
InChIKeyKLTRJFMPLPGHRT-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)pentanoyl fluoride?
The IUPAC name of 5-(4-chlorophenyl)pentanoyl fluoride (CID 142840558) is 5-(4-chlorophenyl)pentanoyl fluoride.
What is the SMILES notation for 5-(4-chlorophenyl)pentanoyl fluoride?
The canonical SMILES for 5-(4-chlorophenyl)pentanoyl fluoride is O=C(F)CCCCc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)pentanoyl fluoride?
The InChIKey is KLTRJFMPLPGHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2.
What are the key properties of 5-(4-chlorophenyl)pentanoyl fluoride?
5-(4-chlorophenyl)pentanoyl fluoride has a molecular weight of 214.67 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)pentanoyl fluoride is sourced from PubChem (CID 142840558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).